List of works - Jian Lv

Ab Initio Search for Global Minimum Structures of Pure and Boron Doped Silver Clusters

scientific article published on 16 June 2015

Accelerating CALYPSO structure prediction by data-driven learning of a potential energy surface

scientific article published on 01 October 2018

An effective structure prediction method for layered materials based on 2D particle swarm optimization algorithm

scientific article

B38: an all-boron fullerene analogue

scientific article published on 04 July 2014

CALYPSO structure prediction method and its wide application

Cagelike diamondoid nitrogen at high pressures

scientific article published on 24 October 2012

Combining Machine Learning Potential and Structure Prediction for Accelerated Materials Design and Discovery

scientific article published on 21 September 2020

Computational Design of Mixed-Valence Tin Sulfides as Solar Absorbers

scientific article published on 18 April 2019

Data-driven prediction of complex crystal structures of dense lithium

scientific article published on 22 May 2023

Decomposition and Recombination of Binary Interalkali Na2K at High Pressures

scientific article published on 22 May 2019

Effects of manganese doping on the structure evolution of small-sized boron clusters

scientific article

Exotic Hydrogen Bonding in Compressed Ammonia Hydrides

scientific article published on 13 May 2019

Functionality-Directed Screening of Pb-Free Hybrid Organic–Inorganic Perovskites with Desired Intrinsic Photovoltaic Functionalities

Geometries, stabilities and fragmental channels of neutral and charged sulfur clusters: Sn(Q) (n = 3-20, Q = 0, ±1).

scientific article

High pressure partially ionic phase of water ice

scientific article published in Nature Communications

Materials discovery at high pressures

Particle-swarm structure prediction on clusters.

scientific article published in August 2012

Predicted novel high-pressure phases of lithium

scientific article published on 07 January 2011

Stabilization of fullerene-like boron cages by transition metal encapsulation

scientific article published on 01 June 2015

Stable Lithium Argon compounds under high pressure.

scientific article

Structure and superconductivity in compressed Li-Si-H compounds: Density functional theory calculations

scientific article published on 5 November 2020

Substitutional alloy of Bi and Te at high pressure

scientific article published on 08 April 2011

The exotically stoichiometric compounds in Al–S system under high pressure

scientific article published on 04 February 2020

Ti-fraction-induced electronic and magnetic transformations in titanium oxide films

scientific article published on 01 April 2019

Understanding the structural transformation, stability of medium-sized neutral and charged silicon clusters.

scientific article

List of works by Jian Lv

Ab Initio Search for Global Minimum Structures of Pure and Boron Doped Silver Clusters

Accelerating CALYPSO structure prediction by data-driven learning of a potential energy surface

An effective structure prediction method for layered materials based on 2D particle swarm optimization algorithm

B38: an all-boron fullerene analogue

CALYPSO structure prediction method and its wide application

Cagelike diamondoid nitrogen at high pressures

Combining Machine Learning Potential and Structure Prediction for Accelerated Materials Design and Discovery

Computational Design of Mixed-Valence Tin Sulfides as Solar Absorbers

Data-driven prediction of complex crystal structures of dense lithium

Decomposition and Recombination of Binary Interalkali Na2K at High Pressures

Effects of manganese doping on the structure evolution of small-sized boron clusters

Exotic Hydrogen Bonding in Compressed Ammonia Hydrides

Functionality-Directed Screening of Pb-Free Hybrid Organic–Inorganic Perovskites with Desired Intrinsic Photovoltaic Functionalities

Geometries, stabilities and fragmental channels of neutral and charged sulfur clusters: Sn(Q) (n = 3-20, Q = 0, ±1).

High pressure partially ionic phase of water ice

Materials discovery at high pressures

Particle-swarm structure prediction on clusters.

Predicted novel high-pressure phases of lithium

Stabilization of fullerene-like boron cages by transition metal encapsulation

Stable Lithium Argon compounds under high pressure.

Structure and superconductivity in compressed Li-Si-H compounds: Density functional theory calculations

Substitutional alloy of Bi and Te at high pressure

The exotically stoichiometric compounds in Al–S system under high pressure

Ti-fraction-induced electronic and magnetic transformations in titanium oxide films

Understanding the structural transformation, stability of medium-sized neutral and charged silicon clusters.